5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C9H12N6O2 — CID 127755566

IUPAC5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(Cn2nnc(C3CC3)n2)n1
InChIInChI=1S/C9H12N6O2/c1-16-5-7-10-8(17-13-7)4-15-12-9(11-14-15)6-2-3-6/h6H,2-5H2,1H3
InChIKeyAEICSAGBUWOTOI-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.13
Rot. Bonds5

About 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 127755566) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID127755566
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(Cn2nnc(C3CC3)n2)n1
InChIInChI=1S/C9H12N6O2/c1-16-5-7-10-8(17-13-7)4-15-12-9(11-14-15)6-2-3-6/h6H,2-5H2,1H3
InChIKeyAEICSAGBUWOTOI-UHFFFAOYSA-N
XLogP0.13
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127388306
2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine
CID 166393831
[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
CID 110017032
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
CID 125436186
(1S,5R)-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70758572
3-(methoxymethyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 154738153
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 79608298
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
N-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483402
3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 128512606
3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120849673

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 127755566) is 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(Cn2nnc(C3CC3)n2)n1.
What is the InChIKey of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is AEICSAGBUWOTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-16-5-7-10-8(17-13-7)4-15-12-9(11-14-15)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 236.23 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 127755566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).